SCHEMBL5787014

SCHEMBL5787014

O=C(O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccc4ccccc34)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.52
AVPR2 P30518 14/20 0.52
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
OXTR P30559 1/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5786345 0.88 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL6483323 0.86 AVPR1A (0.49) AVPR1AAVPR2HDAC8HDAC6
SCHEMBL5816735 0.85 AVPR2 (0.65) AVPR1AAVPR2MCL1ACMSD
SCHEMBL5782712 0.81 AVPR1A (0.74) AVPR1AAVPR2
SCHEMBL5784596 0.79 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL5891481 0.79 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL5106849 0.78 AVPR1A (0.53) AVPR1AAVPR2OXTR
SCHEMBL5626277 0.76 AVPR1A (0.48) AVPR1AAVPR2OXTR
SCHEMBL3554634 0.76 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL3552960 0.76 AVPR1A (0.63) AVPR1AAVPR2OXTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP disclosed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR1A 62/4885AVPR2 91/4885HDAC8 467/4885
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR1A 33/4885AVPR2 70/4885HDAC8 767/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR1A 30/4885AVPR2 45/4885HDAC8 161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.